Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging

Vasudevan, Rama K.; Kelley, Kyle P.; Eliseev, Eugene A.; Jesse, Stephen; Funakubo, Hiroshi; Morozovska, Anna N.; Kalinin, Sergei V.

doi:10.1063/5.0005323

Title: Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging

Journal Article · Fri Aug 07 00:00:00 EDT 2020 · Journal of Applied Physics

DOI:https://doi.org/10.1063/5.0005323· OSTI ID:1649334

^[1];

^[2];

^[1];

^[3];

^[4];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
National Academy of Sciences of Ukraine, Kyiv (Ukraine). Inst. for Problems of Materials Science
Tokyo Inst. of Technology, Yokohama (Japan)
National Academy of Sciences of Ukraine, Kyiv (Ukraine). Inst. of Physics

The universal tendency in scanning probe microscopy (SPM) over the last two decades is to transition from simple 2D imaging to complex detection and spectroscopic imaging modes. The emergence of complex SPM engines brings forth the challenge of reliable data interpretation, i.e., conversion from detected signals to descriptors specific to tip–surface interactions and subsequently to material’s properties. In this work, we implemented a Bayesian inference approach for the analysis of the image formation mechanisms in band excitation SPM. Compared to the point estimates in classical functional fit approaches, Bayesian inference allows for the incorporation of extant knowledge of materials and probe behavior in the form of corresponding prior distribution and return the information on the material functionality in the form of readily interpretable posterior distributions. We explore the nonlinear mechanical behaviors spatially in a classical ferroelectric material, PbTiO₃. We observe the non-trivial evolution of the Duffing stiffness term and the nonlinearity of the sample surface, determine spatial clustering of the nonlinear response, and perform a Landau analysis on predicting the nonlinear coefficient, which indicates that ferroelectric behavior can be a cause of the observed results. These observations suggest that the spectrum of anomalous behaviors at the ferroelectric domain walls may be broader than previously believed and can extend to non-conventional mechanical properties in addition to static and microwave conductance.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1649334

Alternate ID(s):: OSTI ID: 1646708

Journal Information:: Journal of Applied Physics, Vol. 128, Issue 5; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 8 works

Citation information provided by
Web of Science

References (66)

Kelvin probe force microscopy for characterization of semiconductor devices and processes Tanimoto, Masafumi Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 14, Issue 2 https://doi.org/10.1116/1.589136	journal	March 1996
Dynamic piezoresponse force microscopy: Spatially resolved probing of polarization dynamics in time and voltage domains Kumar, A.; Ehara, Y.; Wada, A. Journal of Applied Physics, Vol. 112, Issue 5 https://doi.org/10.1063/1.4746080	journal	September 2012
Intermodulation atomic force microscopy Platz, Daniel; Tholén, Erik A.; Pesen, Devrim Applied Physics Letters, Vol. 92, Issue 15 https://doi.org/10.1063/1.2909569	journal	April 2008
Confinement of Electrons to Quantum Corrals on a Metal Surface Crommie, M. F.; Lutz, C. P.; Eigler, D. M. Science, Vol. 262, Issue 5131 https://doi.org/10.1126/science.262.5131.218	journal	October 1993
Electronic transport in planar atomic-scale structures measured by two-probe scanning tunneling spectroscopy Kolmer, Marek; Brandimarte, Pedro; Lis, Jakub Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-09315-6	journal	April 2019
Numerical simulations of jump phenomena in stable Duffing systems Fang, T.; Dowell, E. H. International Journal of Non-Linear Mechanics, Vol. 22, Issue 3 https://doi.org/10.1016/0020-7462(87)90009-6	journal	January 1987
Acoustic microscopy by atomic force microscopy Rabe, U.; Arnold, W. Applied Physics Letters, Vol. 64, Issue 12 https://doi.org/10.1063/1.111869	journal	March 1994
Current imaging tunneling spectroscopy of metallic deposits on silicon Asenjo, A.; Gómez-Rodríguez, J. M.; Baró, A. M. Ultramicroscopy, Vol. 42-44 https://doi.org/10.1016/0304-3991(92)90381-S	journal	July 1992
Magnetic imaging by ‘‘force microscopy’’ with 1000 Å resolution Martin, Y.; Wickramasinghe, H. K. Applied Physics Letters, Vol. 50, Issue 20 https://doi.org/10.1063/1.97800	journal	May 1987
Chaos in the quasiperiodically forced duffing oscillator Wiggins, Stephen Physics Letters A, Vol. 124, Issue 3 https://doi.org/10.1016/0375-9601(87)90240-4	journal	September 1987
Conduction of Topologically Protected Charged Ferroelectric Domain Walls Wu, Weida; Horibe, Y.; Lee, N. Physical Review Letters, Vol. 108, Issue 7 https://doi.org/10.1103/PhysRevLett.108.077203	journal	February 2012
Big, Deep, and Smart Data in Scanning Probe Microscopy Kalinin, Sergei V.; Strelcov, Evgheni; Belianinov, Alex ACS Nano, Vol. 10, Issue 10 https://doi.org/10.1021/acsnano.6b04212	journal	September 2016
7 × 7 Reconstruction on Si(111) Resolved in Real Space Binnig, G.; Rohrer, H.; Gerber, Ch. Physical Review Letters, Vol. 50, Issue 2 https://doi.org/10.1103/PhysRevLett.50.120	journal	January 1983
Using Stacking to Average Bayesian Predictive Distributions (with Discussion) Yao, Yuling; Vehtari, Aki; Simpson, Daniel Bayesian Analysis, Vol. 13, Issue 3 https://doi.org/10.1214/17-BA1091	journal	September 2018
Nanoscale Origins of Nonlinear Behavior in Ferroic Thin Films Vasudevan, Rama K.; Okatan, M. Baris; Duan, Chen Advanced Functional Materials, Vol. 23, Issue 1 https://doi.org/10.1002/adfm.201201025	journal	August 2012
Kelvin probe force microscopy Nonnenmacher, M.; O’Boyle, M. P.; Wickramasinghe, H. K. Applied Physics Letters, Vol. 58, Issue 25 https://doi.org/10.1063/1.105227	journal	June 1991
Ultrafast terahertz control of extreme tunnel currents through single atoms on a silicon surface Jelic, Vedran; Iwaszczuk, Krzysztof; Nguyen, Peter H. Nature Physics, Vol. 13, Issue 6 https://doi.org/10.1038/nphys4047	journal	February 2017
Electrical Scanning Probe Microscopy on Active Organic Electronic Devices Pingree, Liam S. C.; Reid, Obadiah G.; Ginger, David S. Advanced Materials, Vol. 21, Issue 1, p. 19-28 https://doi.org/10.1002/adma.200801466	journal	January 2009
Cell mechanics as a marker for diseases: Biomedical applications of AFM Rianna, Carmela; Radmacher, Manfred PHYSICS OF CANCER: INTERDISCIPLINARY PROBLEMS AND CLINICAL APPLICATIONS (PC’16): Proceedings of the International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, AIP Conference Proceedings https://doi.org/10.1063/1.4960276	conference	January 2016
Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy Stetsovych, Oleksandr; Todorović, Milica; Shimizu, Tomoko K. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8265	journal	June 2015
Understanding predictive information criteria for Bayesian models Gelman, Andrew; Hwang, Jessica; Vehtari, Aki Statistics and Computing, Vol. 24, Issue 6 https://doi.org/10.1007/s11222-013-9416-2	journal	August 2013
Bioelectromechanical imaging by scanning probe microscopy: Galvani's experiment at the nanoscale Kalinin, Sergei V.; Rodriguez, B. J.; Shin, J. Ultramicroscopy, Vol. 106, Issue 4-5 https://doi.org/10.1016/j.ultramic.2005.10.005	journal	March 2006
The Levenberg-Marquardt algorithm: Implementation and theory Moré, Jorge J.; Watson, G. A. Numerical Analysis, Vol. 630, p. 105-116 https://doi.org/10.1007/BFb0067700	book	January 1978
New SPM techniques for analyzing OPV materials Giridharagopal, Rajiv; Shao, Guozheng; Groves, Chris Materials Today, Vol. 13, Issue 9, p. 50-56 https://doi.org/10.1016/S1369-7021(10)70165-6	journal	September 2010
Mapping piezoelectric nonlinearity in the Rayleigh regime using band excitation piezoresponse force microscopy Griggio, F.; Jesse, S.; Kumar, A. Applied Physics Letters, Vol. 98, Issue 21 https://doi.org/10.1063/1.3593138	journal	May 2011
Domain wall conduction in multiaxial ferroelectrics Eliseev, Eugene A.; Morozovska, Anna N.; Svechnikov, George S. Physical Review B, Vol. 85, Issue 4 https://doi.org/10.1103/PhysRevB.85.045312	journal	January 2012
The electronic properties of graphene Castro Neto, A. H.; Guinea, F.; Peres, N. M. R. Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162 https://doi.org/10.1103/RevModPhys.81.109	journal	January 2009
Positioning single atoms with a scanning tunnelling microscope Eigler, D. M.; Schweizer, E. K. Nature, Vol. 344, Issue 6266 https://doi.org/10.1038/344524a0	journal	April 1990
Phase diagrams and physical properties of single-domain epitaxial $Pb ({Zr}_{1 - x} {Ti}_{x}) O_{3}$ thin films Pertsev, N. A.; Kukhar, V. G.; Kohlstedt, H. Physical Review B, Vol. 67, Issue 5 https://doi.org/10.1103/PhysRevB.67.054107	journal	February 2003
Reversible Unfolding of Individual Titin Immunoglobulin Domains by AFM Rief, M. Science, Vol. 276, Issue 5315 https://doi.org/10.1126/science.276.5315.1109	journal	May 1997
Atomic-Scale Distribution of Water Molecules at the Mica-Water Interface Visualized by Three-Dimensional Scanning Force Microscopy Fukuma, Takeshi; Ueda, Yasumasa; Yoshioka, Shunsuke Physical Review Letters, Vol. 104, Issue 1 https://doi.org/10.1103/PhysRevLett.104.016101	journal	January 2010
The band excitation method in scanning probe microscopy for rapid mapping of energy dissipation on the nanoscale Jesse, Stephen; Kalinin, Sergei V.; Proksch, Roger Nanotechnology, Vol. 18, Issue 43 https://doi.org/10.1088/0957-4484/18/43/435503	journal	September 2007
Crystalline and oxide phases revealed and formed on InSb(111)B Mäkelä, Jaakko; Jahanshah Rad, Zahra Sadat; Lehtiö, Juha-Pekka Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-32723-5	journal	September 2018
Atomic force microscopy as a tool for assessing the cellular elasticity and adhesiveness to identify cancer cells and tissues Zemła, Joanna; Danilkiewicz, Joanna; Orzechowska, Barbara Seminars in Cell & Developmental Biology, Vol. 73 https://doi.org/10.1016/j.semcdb.2017.06.029	journal	January 2018
The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy Gross, L.; Mohn, F.; Moll, N. Science, Vol. 325, Issue 5944 https://doi.org/10.1126/science.1176210	journal	August 2009
Nanomechanical mapping with resonance tracking scanned probe microscope Kos, A. B.; Hurley, D. C. Measurement Science and Technology, Vol. 19, Issue 1 https://doi.org/10.1088/0957-0233/19/1/015504	journal	November 2007
Band excitation in scanning probe microscopy: sines of change Jesse, Stephen; Kalinin, Sergei V. Journal of Physics D: Applied Physics, Vol. 44, Issue 46 https://doi.org/10.1088/0022-3727/44/46/464006	journal	November 2011
How the doors to the nanoworld were opened Gerber, Christoph; Lang, Hans Peter Nature Nanotechnology, Vol. 1, Issue 1 https://doi.org/10.1038/nnano.2006.70	journal	October 2006
Peltier cooling in molecular junctions Cui, Longji; Miao, Ruijiao; Wang, Kun Nature Nanotechnology, Vol. 13, Issue 2 https://doi.org/10.1038/s41565-017-0020-z	journal	December 2017
Field enhancement of electronic conductance at ferroelectric domain walls Vasudevan, Rama K.; Cao, Ye; Laanait, Nouamane Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-01334-5	journal	November 2017
Disappearance of the Kondo resonance for atomically fabricated cobalt dimers Chen, W.; Jamneala, T.; Madhavan, V. Physical Review B, Vol. 60, Issue 12 https://doi.org/10.1103/PhysRevB.60.R8529	journal	September 1999
Tunable giant magnetoresistance in a single-molecule junction Yang, Kai; Chen, Hui; Pope, Thomas Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-11587-x	journal	August 2019
Investigation of Surface Potential of Ferroelectric Organic Molecules by Scanning Probe Microscopy Chen, Xinqi; Yamada, Hirofumi; Horiuchi, Toshihisa Japanese Journal of Applied Physics, Vol. 38, Issue Part 1, No. 6B https://doi.org/10.1143/JJAP.38.3932	journal	June 1999
Suppressed polar distortion with enhanced Curie temperature in in-plane 90°-domain structure of a -axis oriented PbTiO ₃ Film Morioka, Hitoshi; Yamada, Tomoaki; Tagantsev, Alexander K. Applied Physics Letters, Vol. 106, Issue 4 https://doi.org/10.1063/1.4906861	journal	January 2015
G-mode magnetic force microscopy: Separating magnetic and electrostatic interactions using big data analytics Collins, Liam; Belianinov, Alex; Proksch, Roger Applied Physics Letters, Vol. 108, Issue 19 https://doi.org/10.1063/1.4948601	journal	May 2016
Scanning probe microscopy for advanced nanoelectronics Hui, Fei; Lanza, Mario Nature Electronics, Vol. 2, Issue 6 https://doi.org/10.1038/s41928-019-0264-8	journal	June 2019
A kilobyte rewritable atomic memory Kalff, F. E.; Rebergen, M. P.; Fahrenfort, E. Nature Nanotechnology, Vol. 11, Issue 11 https://doi.org/10.1038/nnano.2016.131	journal	July 2016
Selective control of multiple ferroelectric switching pathways using a trailing flexoelectric field Park, Sung Min; Wang, Bo; Das, Saikat Nature Nanotechnology, Vol. 13, Issue 5 https://doi.org/10.1038/s41565-018-0083-5	journal	March 2018
Frequency modulation detection using high‐ Q cantilevers for enhanced force microscope sensitivity Albrecht, T. R.; Grütter, P.; Horne, D. Journal of Applied Physics, Vol. 69, Issue 2 https://doi.org/10.1063/1.347347	journal	January 1991
Magnetic dissipation force microscopy Grütter, P.; Liu, Y.; LeBlanc, P. Applied Physics Letters, Vol. 71, Issue 2 https://doi.org/10.1063/1.119519	journal	July 1997
Dynamic Conductivity of Ferroelectric Domain Walls in BiFeO ₃ Maksymovych, Peter; Seidel, Jan; Chu, Ying Hao Nano Letters, Vol. 11, Issue 5 https://doi.org/10.1021/nl104363x	journal	May 2011
Full information acquisition in piezoresponse force microscopy Somnath, Suhas; Belianinov, Alexei; Kalinin, Sergei V. Applied Physics Letters, Vol. 107, Issue 26 https://doi.org/10.1063/1.4938482	journal	December 2015
High-speed force sensor for force microscopy and profilometry utilizing a quartz tuning fork Giessibl, Franz J. Applied Physics Letters, Vol. 73, Issue 26 https://doi.org/10.1063/1.122948	journal	December 1998
Band Excitation in Scanning Probe Microscopy: Recognition and Functional Imaging Jesse, S.; Vasudevan, R. K.; Collins, L. Annual Review of Physical Chemistry, Vol. 65, Issue 1 https://doi.org/10.1146/annurev-physchem-040513-103609	journal	April 2014
Ultra-high resolution imaging of thin films and single strands of polythiophene using atomic force microscopy Korolkov, Vladimir V.; Summerfield, Alex; Murphy, Alanna Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-09571-6	journal	April 2019
Decoupling Electrochemical Reaction and Diffusion Processes in Ionically-Conductive Solids on the Nanometer Scale Balke, Nina; Jesse, Stephen; Kim, Yoongu ACS Nano, Vol. 4, Issue 12 https://doi.org/10.1021/nn101502x	journal	November 2010
Electromechanical Imaging and Spectroscopy of Ferroelectric and Piezoelectric Materials: State of the Art and Prospects for the Future Balke, Nina; Bdikin, Igor; Kalinin, Sergei V. Journal of the American Ceramic Society, Vol. 92, Issue 8 https://doi.org/10.1111/j.1551-2916.2009.03240.x	journal	August 2009
CO ₂ Adsorption, Diffusion, and Electron-Induced Chemistry on Rutile TiO ₂ (110): A Low-Temperature Scanning Tunneling Microscopy Study Acharya, D. P.; Camillone, N.; Sutter, P. The Journal of Physical Chemistry C, Vol. 115, Issue 24 https://doi.org/10.1021/jp202476v	journal	May 2011
Thermodynamic theory of the lead zirconate-titanate solid solution system, part IV: Tilting of the oxygen octahedra Haun, M. J.; Furman, E.; Halemane, T. R. Ferroelectrics, Vol. 99, Issue 1 https://doi.org/10.1080/00150198908221439	journal	November 1989
Nanoscale ferroelectrics: processing, characterization and future trends Gruverman, A.; Kholkin, A. Reports on Progress in Physics, Vol. 69, Issue 8 https://doi.org/10.1088/0034-4885/69/8/R04	journal	July 2006
Probabilistic programming in Python using PyMC3 Salvatier, John; Wiecki, Thomas V.; Fonnesbeck, Christopher PeerJ Computer Science, Vol. 2 https://doi.org/10.7717/peerj-cs.55	journal	January 2016
Direct Imaging of the Relaxation of Individual Ferroelectric Interfaces in a Tensile-Strained Film Li, Linglong; Cao, Ye; Somnath, Suhas Advanced Electronic Materials, Vol. 3, Issue 4 https://doi.org/10.1002/aelm.201600508	journal	March 2017
Full data acquisition in Kelvin Probe Force Microscopy: Mapping dynamic electric phenomena in real space Collins, Liam; Belianinov, Alex; Somnath, Suhas Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep30557	journal	August 2016
Cold-atom scanning probe microscopy Gierling, M.; Schneeweiss, P.; Visanescu, G. Nature Nanotechnology, Vol. 6, Issue 7 https://doi.org/10.1038/nnano.2011.80	journal	May 2011
Order-disorder phase transition of the Cu(001) surface under equilibrium oxygen pressure Iddir, H.; Fong, D. D.; Zapol, P. Physical Review B, Vol. 76, Issue 24 https://doi.org/10.1103/PhysRevB.76.241404	journal	December 2007
Organic structure determination using atomic-resolution scanning probe microscopy Gross, Leo; Mohn, Fabian; Moll, Nikolaj Nature Chemistry, Vol. 2, Issue 10 https://doi.org/10.1038/nchem.765	journal	August 2010

Similar Records

Extreme-Scale Bayesian Inference for Uncertainty Quantification of Complex Simulations

Technical Report · Fri Jan 12 00:00:00 EST 2018 · OSTI ID:1649334

Biros, George

Parallel tempered trans-dimensional Bayesian inference for the inversion of ultra-deep directional logging-while-drilling resistivity measurements

Journal Article · Sat Jan 18 00:00:00 EST 2020 · Journal of Petroleum Science and Engineering · OSTI ID:1649334

Shen, Qiuyang; Chen, Jiefu; Wu, Xuqing; +2 more

Computationally efficient Bayesian inference for inverse problems.

Technical Report · Mon Oct 01 00:00:00 EDT 2007 · OSTI ID:1649334

Marzouk, Youssef M; Najm, Habib N; Rahn, Larry A

Related Subjects

36 MATERIALS SCIENCE
Machine learning for materials design and discovery
Ferroelectric materials
Bayesian inference
Scanning probe microscopy
Atomic force microscopy
Dielectric properties
Spectroscopy

Title: Bayesian inference in band excitation scanning probe microscopy for optimal dynamic model selection in imaging

Citation Formats

References (66)

Similar Records

Related Subjects